SCHEMBL24920801

SCHEMBL24920801

COc1ccnc(-n2cccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
OGA O60502 1/20 0.38
ADORA2A P29274 4/20 0.37
HTT P42858 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7096815 0.80 NPC1 (0.56) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8363953 0.77 ADORA2A (0.44) HCRTR1HCRTR2NPC1MAPTKDM4E
SCHEMBL24920384 0.77 HCRTR1 (0.47) HCRTR1HCRTR2OGA
SCHEMBL28020279 0.77 NOTUM (0.44) HCRTR1HCRTR2OGANOTUM
SCHEMBL16815696 0.76 L3MBTL1 (0.39) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL24921068 0.76 RXRA (0.39) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9522293 0.75 MEN1 (0.49) HCRTR1HCRTR2NPC1MAPTKDM4E
SCHEMBL3404328 0.75 ALDH1A1 (0.46) NPC1MAPTKDM4EALDH1A1ADORA2A
SCHEMBL9520789 0.75 KDM4E (0.50) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10575533 0.75 HCRTR1 (0.42) HCRTR1HCRTR2NPC1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed